2H-1,3-thiazine

C4H5NS — CID 15789246

IUPAC2H-1,3-thiazine
SMILESC1=CSCN=C1
InChIInChI=1S/C4H5NS/c1-2-5-4-6-3-1/h1-3H,4H2
InChIKeyNTYABNDBNKVWOO-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.28
Rot. Bonds

About 2H-1,3-thiazine

2H-1,3-thiazine (PubChem CID 15789246) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 2H-1,3-thiazine.

Molecular Properties

Compound Name2H-1,3-thiazine
PubChem CID15789246
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name2H-1,3-thiazine
SMILESC1=CSCN=C1
InChIInChI=1S/C4H5NS/c1-2-5-4-6-3-1/h1-3H,4H2
InChIKeyNTYABNDBNKVWOO-UHFFFAOYSA-N
XLogP1.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-1,3-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazine?
The IUPAC name of 2H-1,3-thiazine (CID 15789246) is 2H-1,3-thiazine.
What is the SMILES notation for 2H-1,3-thiazine?
The canonical SMILES for 2H-1,3-thiazine is C1=CSCN=C1.
What is the InChIKey of 2H-1,3-thiazine?
The InChIKey is NTYABNDBNKVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-2-5-4-6-3-1/h1-3H,4H2.
What are the key properties of 2H-1,3-thiazine?
2H-1,3-thiazine has a molecular weight of 99.16 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazine is sourced from PubChem (CID 15789246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).